1-(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)-2-(2-methylprop-1-enyl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)-2-(2-methylprop-1-enyl)benzimidazole-5-carboxylic acid Openeye Name: 1-(4,6-diphenyl-2-thioxo-5H-pyrimidin-5-yl)-2-(2-methylprop-1-enyl)benzimidazole-5-carboxylic acid CAS Name: 1-(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)-2-(2-methylprop-1-enyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)-2-(2-methylprop-1-enyl)benzimidazole-5-carboxylic acid Traditional Name: 1-(4,6-diphenyl-2-thioxo-5H-pyrimidin-5-yl)-2-(2-methylprop-1-enyl)benzimidazole-5-carboxylic acid Formula: C28H22N4O2S MolecularWeight: 478.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NC2=C(N1C3C(=NC(=S)N=C3C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)C(=O)O)C

Isomeric SMILES

CC(=CC1=NC2=C(N1C3C(=NC(=S)N=C3C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C28H22N4O2S/c1-17(2)15-23-29-21-16-20(27(33)34)13-14-22(21)32(23)26-24(18-9-5-3-6-10-18)30-28(35)31-25(26)19-11-7-4-8-12-19/h3-16,26H,1-2H3,(H,33,34)